UCSF

ZINC22167401

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.98 3.76 -56.33 3 4 1 65 283.417 3
Hi High (pH 8-9.5) 1.98 3.37 -7.6 2 4 0 63 282.409 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )